CID 4520013

2-chloro-n-cyclopropylpropanamide

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CC(C(=O)NC1CC1)Cl

InChI

InChI=1S/C6H10ClNO/c1-4(7)6(9)8-5-2-3-5/h4-5H,2-3H2,1H3,(H,8,9)

InChIKey

BKYHBHCARKXKDN-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclopropylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 147.04509 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.052366	126.6
[M+Na]+	170.034308	135.3
[M-H]-	146.037814	131.1
[M+NH4]+	165.078913	143.6
[M+K]+	186.008248	132.3
[M+H-H2O]+	130.042350	121.8
[M+HCOO]-	192.043291	146.0
[M+CH3COO]-	206.058941	179.8
[M+Na-2H]-	168.019756	131.8
[M]+	147.04454142	129.5
[M]-	147.04563858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe